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Patent code US10413550

Compile Data Set for Download or QSAR
Found 137 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265038
PNG
(US10413550, Example 8 | US9718793, 8)
Show SMILES COc1ccc(cc1OC)-c1cnoc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H14ClNO5/c1-22-15-4-3-9(5-16(15)23-2)11-8-19-24-17(11)10-6-12(18)14(21)7-13(10)20/h3-8,20-21H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265050
PNG
(US10413550, Example 12 | US9718793, 12)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(c(O)cc1O)-c1cccnc1
Show InChI InChI=1S/C22H18N2O4/c1-13-21(14-5-7-16(27-2)8-6-14)22(28-24-13)18-10-17(19(25)11-20(18)26)15-4-3-9-23-12-15/h3-12,25-26H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265071
PNG
(US10413550, Example 19 | US9718793, 19)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C(=O)Nc2ccccc2OC)c(O)cc1O
Show InChI InChI=1S/C25H22N2O6/c1-14-23(15-8-10-16(31-2)11-9-15)24(33-27-14)17-12-18(21(29)13-20(17)28)25(30)26-19-6-4-5-7-22(19)32-3/h4-13,28-29H,1-3H3,(H,26,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265098
PNG
(US10413550, Example 34 | US9718793, 34)
Show SMILES CCNC(=O)c1noc(c1-c1cccnc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H14ClN3O4/c1-2-20-17(24)15-14(9-4-3-5-19-8-9)16(25-21-15)10-6-11(18)13(23)7-12(10)22/h3-8,22-23H,2H2,1H3,(H,20,24)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20904
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(diethylami...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H26ClN3O4/c1-4-25-23(30)21-20(15-9-7-14(8-10-15)13-27(5-2)6-3)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h7-12,28-29H,4-6,13H2,1-3H3,(H,25,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20905
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pip...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O4/c1-2-26-24(31)22-21(23(32-27-22)17-12-18(25)20(30)13-19(17)29)16-8-6-15(7-9-16)14-28-10-4-3-5-11-28/h6-9,12-13,29-30H,2-5,10-11,14H2,1H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20906
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(O)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O5/c1-2-26-24(32)22-21(23(33-27-22)17-11-18(25)20(31)12-19(17)30)15-5-3-14(4-6-15)13-28-9-7-16(29)8-10-28/h3-6,11-12,16,29-31H,2,7-10,13H2,1H3,(H,26,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20907
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyr...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O4/c1-2-25-23(30)21-20(15-7-5-14(6-8-15)13-27-9-3-4-10-27)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h5-8,11-12,28-29H,2-4,9-10,13H2,1H3,(H,25,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265197
PNG
(US10413550, Example 41f | US9718793, 41f)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)c(F)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H25ClFN3O4/c1-2-27-24(32)22-21(23(33-28-22)16-11-17(25)20(31)12-19(16)30)14-6-7-15(18(26)10-14)13-29-8-4-3-5-9-29/h6-7,10-12,30-31H,2-5,8-9,13H2,1H3,(H,27,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265230
PNG
(US10413550, Example 41s | US9718793, 41s)
Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CN1CCN(C)CC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-7-5-4-6-15(16)14-29-10-8-28(2)9-11-29/h4-7,12-13,30-31H,3,8-11,14H2,1-2H3,(H,26,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265287
PNG
(US10413550, Example 75h | US9718793, 75h)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
Show InChI InChI=1S/C31H34FN3O4/c1-4-33-31(38)29-28(22-13-11-21(12-14-22)19-35(5-2)6-3)30(39-34-29)25-17-23(26(36)18-27(25)37)15-10-20-8-7-9-24(32)16-20/h7-9,11-14,16-18,36-37H,4-6,10,15,19H2,1-3H3,(H,33,38)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265332
PNG
(US10413550, Example 77b | US9718793, 77b)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C27H35N3O4/c1-7-28-26(33)24-23(18-12-10-17(11-13-18)16-30(8-2)9-3)25(34-29-24)19-14-20(27(4,5)6)22(32)15-21(19)31/h10-15,31-32H,7-9,16H2,1-6H3,(H,28,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265356
PNG
(US10413550, Example 78d | US9718793, 78d)
Show SMILES CCNCc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
Show InChI InChI=1S/C24H29N3O4/c1-5-25-13-15-7-9-16(10-8-15)21-22(24(30)26-6-2)27-31-23(21)18-11-17(14(3)4)19(28)12-20(18)29/h7-12,14,25,28-29H,5-6,13H2,1-4H3,(H,26,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265410
PNG
(US10413550, Example 78z | US9718793, 78z)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CNC(C)(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H35N3O4/c1-15(2)19-12-20(22(32)13-21(19)31)25-23(24(30-34-25)26(33)29-16(3)4)18-10-8-17(9-11-18)14-28-27(5,6)7/h8-13,15-16,28,31-32H,14H2,1-7H3,(H,29,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265416
PNG
(US10413550, Example 78ab | US9718793, 78ab)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCC(F)(F)F)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C24H26F3N3O4/c1-4-29-23(33)21-20(15-7-5-14(6-8-15)11-28-12-24(25,26)27)22(34-30-21)17-9-16(13(2)3)18(31)10-19(17)32/h5-10,13,28,31-32H,4,11-12H2,1-3H3,(H,29,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265029
PNG
(US10413550, Example 5 | US9718793, 5*)
Show SMILES Cc1noc(c1-c1ccc2OCCOc2c1)-c1ccc(O)cc1O
Show InChI InChI=1S/C18H15NO5/c1-10-17(11-2-5-15-16(8-11)23-7-6-22-15)18(24-19-10)13-4-3-12(20)9-14(13)21/h2-5,8-9,20-21H,6-7H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265047
PNG
(US10413550, Example 11 | US9718793, 11)
Show SMILES CCc1cc(-c2oncc2-c2ccc(OC)c(OC)c2)c(O)cc1O
Show InChI InChI=1S/C19H19NO5/c1-4-11-7-13(16(22)9-15(11)21)19-14(10-20-25-19)12-5-6-17(23-2)18(8-12)24-3/h5-10,21-22H,4H2,1-3H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM32080
PNG
((4E)-3-hydroxy-5-methyl-4-[4-(1,3-thiazol-4-yl)-3-...)
Show SMILES Cc1cc(O)cc(O)c1-c1onc(c1-c1cscn1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O3S/c1-6-2-7(20)3-9(21)10(6)12-11(8-4-23-5-18-8)13(19-22-12)14(15,16)17/h2-5,20-21H,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20910
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[(4-...)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-5-15(11-16)14-29-9-7-28(2)8-10-29/h4-6,11-13,30-31H,3,7-10,14H2,1-2H3,(H,26,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265182
PNG
(US10413550, Example 64 | US9718793, 64)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)c(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H23ClFN3O5/c1-2-26-23(31)21-20(22(33-27-21)15-10-16(24)19(30)11-18(15)29)13-3-4-17(25)14(9-13)12-28-5-7-32-8-6-28/h3-4,9-11,29-30H,2,5-8,12H2,1H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265185
PNG
(US10413550, Example 41a | US9718793, 41a)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCc2ccoc2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H22ClN3O5/c1-2-27-24(31)22-21(23(33-28-22)17-9-18(25)20(30)10-19(17)29)16-5-3-14(4-6-16)11-26-12-15-7-8-32-13-15/h3-10,13,26,29-30H,2,11-12H2,1H3,(H,27,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM413515
PNG
(US10413550, Example 41c)
Show SMILES CNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O4/c1-25-23(30)21-20(22(31-26-21)16-11-17(24)19(29)12-18(16)28)15-7-5-14(6-8-15)13-27-9-3-2-4-10-27/h5-8,11-12,28-29H,2-4,9-10,13H2,1H3,(H,25,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265218
PNG
(US10413550, Example 41n | US9718793, 41n)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CO)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H17ClN2O5/c1-2-21-19(26)17-16(11-5-3-10(9-23)4-6-11)18(27-22-17)12-7-13(20)15(25)8-14(12)24/h3-8,23-25H,2,9H2,1H3,(H,21,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265224
PNG
(US10413550, Example 41q | US9718793, 41q)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(OCCN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H28ClN3O5/c1-4-26-24(31)22-21(23(33-27-22)17-13-18(25)20(30)14-19(17)29)15-7-9-16(10-8-15)32-12-11-28(5-2)6-3/h7-10,13-14,29-30H,4-6,11-12H2,1-3H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265227
PNG
(US10413550, Example 41r | US9718793, 41r)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)c2ccccc12)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C28H28ClN3O4/c1-2-30-28(35)26-25(27(36-31-26)21-14-22(29)24(34)15-23(21)33)20-11-10-17(16-32-12-6-3-7-13-32)18-8-4-5-9-19(18)20/h4-5,8-11,14-15,33-34H,2-3,6-7,12-13,16H2,1H3,(H,30,35)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265239
PNG
(US10413550, Example 68 | US9718793, 68)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(CCc2ccccc2)c(O)cc1O
Show InChI InChI=1S/C27H26N2O5/c1-3-28-27(32)25-24(18-11-13-20(33-2)14-12-18)26(34-29-25)21-15-19(22(30)16-23(21)31)10-9-17-7-5-4-6-8-17/h4-8,11-16,30-31H,3,9-10H2,1-2H3,(H,28,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265251
PNG
(US10413550, Example 72 | US9718793, 72)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H30FN3O4/c1-2-32-30(37)28-27(21-8-6-19(7-9-21)18-34-14-4-3-5-15-34)29(38-33-28)24-16-23(25(35)17-26(24)36)20-10-12-22(31)13-11-20/h6-13,16-17,35-36H,2-5,14-15,18H2,1H3,(H,32,37)/p+1
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265314
PNG
(US10413550, Example 75t | US9718793, 75t)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+](CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
Show InChI InChI=1S/C30H33N3O4/c1-5-31-30(36)28-27(21-14-12-20(13-15-21)18-33(6-2)7-3)29(37-32-28)24-16-23(25(34)17-26(24)35)22-11-9-8-10-19(22)4/h8-17,34-35H,5-7,18H2,1-4H3,(H,31,36)/p+1
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20924
PNG
(5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C27H33N3O5/c1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31/h6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265341
PNG
(US10413550, Example 77e | US9718793, 77e)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C22H23FN2O4/c1-5-24-21(28)19-18(12-6-8-13(23)9-7-12)20(29-25-19)14-10-15(22(2,3)4)17(27)11-16(14)26/h6-11,26-27H,5H2,1-4H3,(H,24,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265344
PNG
(US10413550, Example 77f | US9718793, 77f)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C23H26N2O5/c1-6-24-22(28)20-19(13-7-9-14(29-5)10-8-13)21(30-25-20)15-11-16(23(2,3)4)18(27)12-17(15)26/h7-12,26-27H,6H2,1-5H3,(H,24,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265361
PNG
(US10413550, Example 78f | US9718793, 78f)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCCCNC(=O)CCCC2SC[C@@H]3NC(=O)N[C@H]23)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C35H46N6O6S/c1-4-37-34(45)32-30(33(47-41-32)24-16-23(20(2)3)26(42)17-27(24)43)22-12-10-21(11-13-22)18-36-14-5-6-15-38-29(44)9-7-8-28-31-25(19-48-28)39-35(46)40-31/h10-13,16-17,20,25,28,31,36,42-43H,4-9,14-15,18-19H2,1-3H3,(H,37,45)(H,38,44)(H2,39,40,46)/t25-,28?,31-/m0/s1
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265428
PNG
(US10413550, Example 78af | US9718793, 78af)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(N)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H34N4O4/c1-4-29-27(34)25-24(18-7-5-17(6-8-18)15-31-11-9-19(28)10-12-31)26(35-30-25)21-13-20(16(2)3)22(32)14-23(21)33/h5-8,13-14,16,19,32-33H,4,9-12,15,28H2,1-3H3,(H,29,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265434
PNG
(US10413550, Example 78ah | US9718793, 78ah)
Show SMILES CCNC(=O)CNCc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
Show InChI InChI=1S/C26H32N4O5/c1-5-28-22(33)14-27-13-16-7-9-17(10-8-16)23-24(26(34)29-6-2)30-35-25(23)19-11-18(15(3)4)20(31)12-21(19)32/h7-12,15,27,31-32H,5-6,13-14H2,1-4H3,(H,28,33)(H,29,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265080
PNG
(US10413550, Example 26 | US9718793, 26)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCNCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H23ClN4O4/c1-2-25-22(30)20-19(13-3-5-14(6-4-13)27-9-7-24-8-10-27)21(31-26-20)15-11-16(23)18(29)12-17(15)28/h3-6,11-12,24,28-29H,2,7-10H2,1H3,(H,25,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265086
PNG
(US10413550, Example 27a | US9718793, 27a)
Show SMILES CCNC(=O)c1noc(c1Br)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C12H10BrClN2O4/c1-2-15-12(19)10-9(13)11(20-16-10)5-3-6(14)8(18)4-7(5)17/h3-4,17-18H,2H2,1H3,(H,15,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265095
PNG
(US10413550, Example 33 | US9718793, 33)
Show SMILES CCNC(=O)c1noc(c1-c1ccc2ncccc2c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C21H16ClN3O4/c1-2-23-21(28)19-18(12-5-6-15-11(8-12)4-3-7-24-15)20(29-25-19)13-9-14(22)17(27)10-16(13)26/h3-10,26-27H,2H2,1H3,(H,23,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20900
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(1,1-dioxo-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O6S/c1-2-25-23(30)21-20(22(33-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-34(31,32)10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20909
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(mor...)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-4-14(10-15)13-27-6-8-31-9-7-27/h3-5,10-12,28-29H,2,6-9,13H2,1H3,(H,25,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265128
PNG
(US10413550, Example 46 | US9718793, 46)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(CC2)C(C)=O)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-16(5-7-17)14-29-8-10-30(11-9-29)15(2)31/h4-7,12-13,32-33H,3,8-11,14H2,1-2H3,(H,27,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265161
PNG
(US10413550, Example 57 | US9718793, 57)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C26H32N4O4/c1-4-18-14-20(22(32)15-21(18)31)25-23(24(28-34-25)26(33)27-5-2)19-8-6-17(7-9-19)16-30-12-10-29(3)11-13-30/h6-9,14-15,31-32H,4-5,10-13,16H2,1-3H3,(H,27,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265164
PNG
(US10413550, Example 58 | US9718793, 58)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCc2cccnc2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H23ClN4O4/c1-2-29-25(33)23-22(24(34-30-23)18-10-19(26)21(32)11-20(18)31)17-7-5-15(6-8-17)12-28-14-16-4-3-9-27-13-16/h3-11,13,28,31-32H,2,12,14H2,1H3,(H,29,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20908
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(dimethylam...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C21H22ClN3O4/c1-4-23-21(28)19-18(13-7-5-12(6-8-13)11-25(2)3)20(29-24-19)14-9-15(22)17(27)10-16(14)26/h5-10,26-27H,4,11H2,1-3H3,(H,23,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265206
PNG
(US10413550, Example 41i | US9718793, 41i)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1C)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H28ClN3O4/c1-3-27-25(32)23-22(24(33-28-23)18-12-19(26)21(31)13-20(18)30)17-8-7-16(11-15(17)2)14-29-9-5-4-6-10-29/h7-8,11-13,30-31H,3-6,9-10,14H2,1-2H3,(H,27,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265209
PNG
(US10413550, Example 41j | US9718793, 41j)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1C)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-11-18(25)20(30)12-19(17)29)16-5-4-15(10-14(16)2)13-28-6-8-32-9-7-28/h4-5,10-12,29-30H,3,6-9,13H2,1-2H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265245
PNG
(US10413550, Example 70 | US9718793, 70)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
Show InChI InChI=1S/C31H32FN3O5/c1-2-33-31(38)29-28(22-8-4-21(5-9-22)19-35-13-15-39-16-14-35)30(40-34-29)25-17-23(26(36)18-27(25)37)10-3-20-6-11-24(32)12-7-20/h4-9,11-12,17-18,36-37H,2-3,10,13-16,19H2,1H3,(H,33,38)/p+1
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265248
PNG
(US10413550, Example 71 | US9718793, 71)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F2N2O4/c1-2-27-24(31)22-21(14-5-9-16(26)10-6-14)23(32-28-22)18-11-17(19(29)12-20(18)30)13-3-7-15(25)8-4-13/h3-12,29-30H,2H2,1H3,(H,27,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265260
PNG
(US10413550, Example 75 | US9718793, 75)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
Show InChI InChI=1S/C31H32FN3O5/c1-2-33-31(38)29-28(22-9-7-21(8-10-22)19-35-12-14-39-15-13-35)30(40-34-29)25-17-23(26(36)18-27(25)37)11-6-20-4-3-5-24(32)16-20/h3-5,7-10,16-18,36-37H,2,6,11-15,19H2,1H3,(H,33,38)/p+1
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265272
PNG
(US10413550, Example 75d | US9718793, 75d)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
Show InChI InChI=1S/C30H30FN3O4/c1-2-32-30(37)28-27(20-12-10-19(11-13-20)18-34-14-6-3-7-15-34)29(38-33-28)23-16-22(25(35)17-26(23)36)21-8-4-5-9-24(21)31/h4-5,8-13,16-17,35-36H,2-3,6-7,14-15,18H2,1H3,(H,32,37)/p+1
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265302
PNG
(US10413550, Example 75p | US9718793, 75p)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C29H31N3O4/c1-4-30-29(35)27-26(21-14-12-19(13-15-21)18-32(5-2)6-3)28(36-31-27)23-16-22(24(33)17-25(23)34)20-10-8-7-9-11-20/h7-17,33-34H,4-6,18H2,1-3H3,(H,30,35)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265311
PNG
(US10413550, Example 75s | US9718793, 75s)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
Show InChI InChI=1S/C31H34N4O4/c1-4-32-31(38)29-28(22-11-9-21(10-12-22)19-35-15-13-34(3)14-16-35)30(39-33-29)25-17-24(26(36)18-27(25)37)23-8-6-5-7-20(23)2/h5-12,17-18,36-37H,4,13-16,19H2,1-3H3,(H,32,38)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20925
PNG
(5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C28H35N3O4/c1-5-29-27(34)25-24(19-11-9-18(10-12-19)17-31-13-7-6-8-14-31)26(35-30-25)20-15-21(28(2,3)4)23(33)16-22(20)32/h9-12,15-16,32-33H,5-8,13-14,17H2,1-4H3,(H,29,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265387
PNG
(US10413550, Example 78p | US9718793, 78p)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H32N4O4/c1-4-28-26(33)24-23(18-7-5-17(6-8-18)15-30-11-9-27-10-12-30)25(34-29-24)20-13-19(16(2)3)21(31)14-22(20)32/h5-8,13-14,16,27,31-32H,4,9-12,15H2,1-3H3,(H,28,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265413
PNG
(US10413550, Example 78aa | US9718793, 78aa)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCC(F)(F)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H33F2N3O4/c1-16(2)20-13-21(23(35)14-22(20)34)26-24(25(32-37-26)27(36)31-17(3)4)19-7-5-18(6-8-19)15-33-11-9-28(29,30)10-12-33/h5-8,13-14,16-17,34-35H,9-12,15H2,1-4H3,(H,31,36)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265419
PNG
(US10413550, Example 78ac | US9718793, 78ac)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(F)(F)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H31F2N3O4/c1-4-30-26(35)24-23(25(36-31-24)20-13-19(16(2)3)21(33)14-22(20)34)18-7-5-17(6-8-18)15-32-11-9-27(28,29)10-12-32/h5-8,13-14,16,33-34H,4,9-12,15H2,1-3H3,(H,30,35)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265422
PNG
(US10413550, Example 78ad | US9718793, 78ad)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)NC(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H34N4O5/c1-6-29-27(35)25-24(18-9-7-17(8-10-18)13-28-14-23(34)30-16(4)5)26(36-31-25)20-11-19(15(2)3)21(32)12-22(20)33/h7-12,15-16,28,32-33H,6,13-14H2,1-5H3,(H,29,35)(H,30,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265116
PNG
(US10413550, Example 42 | US9718793, 42)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-12-18(25)20(30)13-19(17)29)16-6-4-15(5-7-16)14(2)28-8-10-32-11-9-28/h4-7,12-14,29-30H,3,8-11H2,1-2H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20913
PNG
(Isoxazole, 40d | N-ethyl-5-(5-ethyl-2,4-dihydroxyp...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C25H29N3O5/c1-3-17-13-19(21(30)14-20(17)29)24-22(23(27-33-24)25(31)26-4-2)18-7-5-16(6-8-18)15-28-9-11-32-12-10-28/h5-8,13-14,29-30H,3-4,9-12,15H2,1-2H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20914
PNG
(4-{4-[(diethylamino)methyl]phenyl}-N-ethyl-5-(5-et...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C25H31N3O4/c1-5-17-13-19(21(30)14-20(17)29)24-22(23(27-32-24)25(31)26-6-2)18-11-9-16(10-12-18)15-28(7-3)8-4/h9-14,29-30H,5-8,15H2,1-4H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265242
PNG
(US10413550, Example 69 | US9718793, 69)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
Show InChI InChI=1S/C32H34FN3O4/c1-2-34-32(39)30-29(23-11-7-22(8-12-23)20-36-16-4-3-5-17-36)31(40-35-30)26-18-24(27(37)19-28(26)38)13-6-21-9-14-25(33)15-10-21/h7-12,14-15,18-19,37-38H,2-6,13,16-17,20H2,1H3,(H,34,39)/p+1
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265326
PNG
(US10413550, Example 76C | US9718793, 76C)
Show SMILES CCNC(=O)c1onc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)22-20(21(26-32-22)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265338
PNG
(US10413550, Example 77d | US9718793, 77d)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C28H36N4O4/c1-6-29-27(35)25-24(19-9-7-18(8-10-19)17-32-13-11-31(5)12-14-32)26(36-30-25)20-15-21(28(2,3)4)23(34)16-22(20)33/h7-10,15-16,33-34H,6,11-14,17H2,1-5H3,(H,29,35)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265379
PNG
(US10413550, Example 78l | US9718793, 78l)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC(C)(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H33N3O4/c1-7-27-25(32)23-22(17-10-8-16(9-11-17)14-28-26(4,5)6)24(33-29-23)19-12-18(15(2)3)20(30)13-21(19)31/h8-13,15,28,30-31H,7,14H2,1-6H3,(H,27,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265381
PNG
(US10413550, Example 78m | US9718793, 78m)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCOC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H31N3O5/c1-5-27-25(31)23-22(17-8-6-16(7-9-17)14-26-10-11-32-4)24(33-28-23)19-12-18(15(2)3)20(29)13-21(19)30/h6-9,12-13,15,26,29-30H,5,10-11,14H2,1-4H3,(H,27,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265384
PNG
(US10413550, Example 78n | US9718793, 78n)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H38N4O4/c1-6-30-28(35)26-25(20-11-9-19(10-12-20)17-29-13-14-32(7-2)8-3)27(36-31-26)22-15-21(18(4)5)23(33)16-24(22)34/h9-12,15-16,18,29,33-34H,6-8,13-14,17H2,1-5H3,(H,30,35)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265389
PNG
(US10413550, Example 78q | US9718793, 78q)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H34N4O4/c1-4-29-27(34)25-24(18-7-5-17(6-8-18)15-30-19-9-11-28-12-10-19)26(35-31-25)21-13-20(16(2)3)22(32)14-23(21)33/h5-8,13-14,16,19,28,30,32-33H,4,9-12,15H2,1-3H3,(H,29,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265398
PNG
(US10413550, Example 78t | US9718793, 78t)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H36N4O4/c1-17(2)21-14-22(24(34)15-23(21)33)27-25(26(30-36-27)28(35)29-18(3)4)20-8-6-19(7-9-20)16-32-12-10-31(5)11-13-32/h6-9,14-15,17-18,33-34H,10-13,16H2,1-5H3,(H,29,35)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265401
PNG
(US10413550, Example 78u | US9718793, 78u)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NC(C)C
Show InChI InChI=1S/C27H35N3O4/c1-7-30(8-2)15-18-9-11-19(12-10-18)24-25(27(33)28-17(5)6)29-34-26(24)21-13-20(16(3)4)22(31)14-23(21)32/h9-14,16-17,31-32H,7-8,15H2,1-6H3,(H,28,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265407
PNG
(US10413550, Example 78y | US9718793, 78y)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CNC2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H35N3O4/c1-16(2)21-13-22(24(33)14-23(21)32)27-25(26(31-35-27)28(34)30-17(3)4)19-11-9-18(10-12-19)15-29-20-7-5-6-8-20/h9-14,16-17,20,29,32-33H,5-8,15H2,1-4H3,(H,30,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265440
PNG
(US10413550, Example 80 | US9718793, 80)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CC(C)C)c(O)cc1O
Show InChI InChI=1S/C28H35N3O4/c1-4-29-28(34)26-25(20-10-8-19(9-11-20)17-31-12-6-5-7-13-31)27(35-30-26)22-15-21(14-18(2)3)23(32)16-24(22)33/h8-11,15-16,18,32-33H,4-7,12-14,17H2,1-3H3,(H,29,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265035
PNG
(US10413550, Example 7 | US9718793, 7)
Show SMILES Oc1ccccc1-c1oncc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H13NO4/c19-14-4-2-1-3-12(14)17-13(10-18-22-17)11-5-6-15-16(9-11)21-8-7-20-15/h1-6,9-10,19H,7-8H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265041
PNG
(US10413550, Example 9 | US9718793, 9)
Show SMILES Cc1noc(c1-c1ccc(F)cc1)-c1ccc(O)cc1O
Show InChI InChI=1S/C16H12FNO3/c1-9-15(10-2-4-11(17)5-3-10)16(21-18-9)13-7-6-12(19)8-14(13)20/h2-8,19-20H,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265053
PNG
(US10413550, Example 12a | US9718793, 12a)
Show SMILES Oc1cc(O)c(cc1Cl)-c1oncc1-c1ccc(Br)cc1
Show InChI InChI=1S/C15H9BrClNO3/c16-9-3-1-8(2-4-9)11-7-18-21-15(11)10-5-12(17)14(20)6-13(10)19/h1-7,19-20H
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265056
PNG
(US10413550, Example 12b | US9718793, 12b**)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C#N)c(O)cc1O
Show InChI InChI=1S/C18H14N2O4/c1-10-17(11-3-5-13(23-2)6-4-11)18(24-20-10)14-7-12(9-19)15(21)8-16(14)22/h3-8,21-22H,1-2H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265059
PNG
(US10413550, Example 12c | US9718793, 12c$#167;)
Show SMILES Cc1cc(O)cc(O)c1-c1oncc1-c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O3S/c1-11-7-13(22)8-16(23)17(11)18-14(9-20-24-18)15-10-25-19(21-15)12-5-3-2-4-6-12/h2-10,22-23H,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265068
PNG
(US10413550, Example 18 | US9718793, 18)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C(=S)Nc2ccccc2)c(O)cc1O
Show InChI InChI=1S/C24H20N2O4S/c1-14-22(15-8-10-17(29-2)11-9-15)23(30-26-14)18-12-19(21(28)13-20(18)27)24(31)25-16-6-4-3-5-7-16/h3-13,27-28H,1-2H3,(H,25,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265074
PNG
(US10413550, Example 20 | US9718793, 20)
Show SMILES COC(c1ccccc1)c1cc(-c2onc(C)c2-c2ccc(OC)cc2)c(O)cc1O
Show InChI InChI=1S/C25H23NO5/c1-15-23(16-9-11-18(29-2)12-10-16)25(31-26-15)20-13-19(21(27)14-22(20)28)24(30-3)17-7-5-4-6-8-17/h4-14,24,27-28H,1-3H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265077
PNG
(US10413550, Example 21 | US9718793, 21)
Show SMILES CCCCCc1noc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1O
Show InChI InChI=1S/C21H23NO4/c1-3-4-5-6-18-20(14-7-10-16(25-2)11-8-14)21(26-22-18)17-12-9-15(23)13-19(17)24/h7-13,23-24H,3-6H2,1-2H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265083
PNG
(US10413550, Example 27 | US9718793, 27)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H14ClFN2O4/c1-2-21-18(25)16-15(9-3-5-10(20)6-4-9)17(26-22-16)11-7-12(19)14(24)8-13(11)23/h3-8,23-24H,2H2,1H3,(H,21,25)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265092
PNG
(US10413550, Example 32 | US9718793, 32)
Show SMILES CCNC(=O)c1noc(c1-c1ccc2ccccc2c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H17ClN2O4/c1-2-24-22(28)20-19(14-8-7-12-5-3-4-6-13(12)9-14)21(29-25-20)15-10-16(23)18(27)11-17(15)26/h3-11,26-27H,2H2,1H3,(H,24,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265101
PNG
(US10413550, Example 35 | US9718793, 35)
Show SMILES CCNC(=O)c1noc(c1-c1cccc2ccccc12)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H17ClN2O4/c1-2-24-22(28)20-19(14-9-5-7-12-6-3-4-8-13(12)14)21(29-25-20)15-10-16(23)18(27)11-17(15)26/h3-11,26-27H,2H2,1H3,(H,24,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265122
PNG
(US10413550, Example 44 | US9718793, 44)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(c1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-12-18(25)20(30)13-19(17)29)16-6-4-5-15(11-16)14(2)28-7-9-32-10-8-28/h4-6,11-14,29-30H,3,7-10H2,1-2H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265203
PNG
(US10413550, Example 41h | US9718793, 41h)
Show SMILES NC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H22ClN3O4/c23-16-10-15(17(27)11-18(16)28)21-19(20(22(24)29)25-30-21)14-6-4-13(5-7-14)12-26-8-2-1-3-9-26/h4-7,10-11,27-28H,1-3,8-9,12H2,(H2,24,29)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265221
PNG
(US10413550, Example 41p | US9718793, 41p)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H28ClN3O4/c1-15(2)27-25(32)23-22(24(33-28-23)18-12-19(26)21(31)13-20(18)30)17-8-6-16(7-9-17)14-29-10-4-3-5-11-29/h6-9,12-13,15,30-31H,3-5,10-11,14H2,1-2H3,(H,27,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265104
PNG
(US10413550, Example 66 | US9718793, 36 | US9718793...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCN(C)CC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H25ClN4O4/c1-3-25-23(31)21-20(22(32-26-21)16-12-17(24)19(30)13-18(16)29)14-4-6-15(7-5-14)28-10-8-27(2)9-11-28/h4-7,12-13,29-30H,3,8-11H2,1-2H3,(H,25,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20919
PNG
(5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(pip...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C30H31N3O4/c1-2-31-30(36)28-27(22-13-11-20(12-14-22)19-33-15-7-4-8-16-33)29(37-32-28)24-17-23(25(34)18-26(24)35)21-9-5-3-6-10-21/h3,5-6,9-14,17-18,34-35H,2,4,7-8,15-16,19H2,1H3,(H,31,36)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265305
PNG
(US10413550, Example 75q | US9718793, 75q)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN4O4/c1-3-32-30(38)28-27(21-6-4-19(5-7-21)18-35-14-12-34(2)13-15-35)29(39-33-28)24-16-23(25(36)17-26(24)37)20-8-10-22(31)11-9-20/h4-11,16-17,36-37H,3,12-15,18H2,1-2H3,(H,32,38)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265308
PNG
(US10413550, Example 75r | US9718793, 75r)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+](CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H30FN3O4/c1-4-31-29(36)27-26(20-9-7-18(8-10-20)17-33(5-2)6-3)28(37-32-27)23-15-22(24(34)16-25(23)35)19-11-13-21(30)14-12-19/h7-16,34-35H,4-6,17H2,1-3H3,(H,31,36)/p+1
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The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265323
PNG
(US10413550, Example 76B | US9718793, 76B)
Show SMILES CCNC(=O)c1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H17ClN2O5/c1-3-21-19(25)18-16(10-4-6-11(26-2)7-5-10)17(22-27-18)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265370
PNG
(US10413550, Example 78i | US9718793, 78i)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H35N3O4/c1-4-29-28(34)26-25(19-12-10-18(11-13-19)16-30-20-8-6-5-7-9-20)27(35-31-26)22-14-21(17(2)3)23(32)15-24(22)33/h10-15,17,20,30,32-33H,4-9,16H2,1-3H3,(H,29,34)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265065
PNG
(US10413550, Example 17 | US9718793, 17)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C=O)c(O)cc1O
Show InChI InChI=1S/C18H15NO5/c1-10-17(11-3-5-13(23-2)6-4-11)18(24-19-10)14-7-12(9-20)15(21)8-16(14)22/h3-9,21-22H,1-2H3
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265089
PNG
(US10413550, Example 30 | US9718793, 30)
Show SMILES CC(=O)Nc1cccc(c1)-c1c(C)noc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H15ClN2O4/c1-9-17(11-4-3-5-12(6-11)20-10(2)22)18(25-21-9)13-7-14(19)16(24)8-15(13)23/h3-8,23-24H,1-2H3,(H,20,22)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20903
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(mor...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20911
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpi...)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-5-16(11-17)14-29-7-9-30(10-8-29)15(2)31/h4-6,11-13,32-33H,3,7-10,14H2,1-2H3,(H,27,34)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265200
PNG
(US10413550, Example 41g | US9718793, 41g)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)c(F)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H23ClFN3O5/c1-2-26-23(31)21-20(22(33-27-21)15-10-16(24)19(30)11-18(15)29)13-3-4-14(17(25)9-13)12-28-5-7-32-8-6-28/h3-4,9-11,29-30H,2,5-8,12H2,1H3,(H,26,31)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265236
PNG
(US10413550, Example 67 | US9718793, 67)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C24H19FN2O4/c1-2-26-24(30)22-21(15-8-10-16(25)11-9-15)23(31-27-22)18-12-17(19(28)13-20(18)29)14-6-4-3-5-7-14/h3-13,28-29H,2H2,1H3,(H,26,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20918
PNG
(5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(mor...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C29H29N3O5/c1-2-30-29(35)27-26(21-10-8-19(9-11-21)18-32-12-14-36-15-13-32)28(37-31-27)23-16-22(24(33)17-25(23)34)20-6-4-3-5-7-20/h3-11,16-17,33-34H,2,12-15,18H2,1H3,(H,30,35)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265263
PNG
(US10413550, Example 75a | US9718793, 75a)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
Show InChI InChI=1S/C33H37N3O4/c1-3-34-33(39)31-30(25-13-11-24(12-14-25)21-36-16-5-4-6-17-36)32(40-35-31)27-19-26(28(37)20-29(27)38)15-10-23-9-7-8-22(2)18-23/h7-9,11-14,18-20,37-38H,3-6,10,15-17,21H2,1-2H3,(H,34,39)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265284
PNG
(US10413550, Example 75g | US9718793, 75g)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
Show InChI InChI=1S/C30H31FN4O4/c1-3-32-30(38)28-27(20-10-8-19(9-11-20)18-35-14-12-34(2)13-15-35)29(39-33-28)23-16-22(25(36)17-26(23)37)21-6-4-5-7-24(21)31/h4-11,16-17,36-37H,3,12-15,18H2,1-2H3,(H,32,38)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265293
PNG
(US10413550, Example 75k | US9718793, 75k)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
Show InChI InChI=1S/C29H28FN3O4/c1-2-31-29(36)27-26(19-11-9-18(10-12-19)17-33-13-5-6-14-33)28(37-32-27)22-15-21(24(34)16-25(22)35)20-7-3-4-8-23(20)30/h3-4,7-12,15-16,34-35H,2,5-6,13-14,17H2,1H3,(H,31,36)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265299
PNG
(US10413550, Example 75n | US9718793, 75n)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
Show InChI InChI=1S/C33H38N4O4/c1-4-34-33(40)31-30(25-11-9-24(10-12-25)21-37-16-14-36(3)15-17-37)32(41-35-31)27-19-26(28(38)20-29(27)39)13-8-23-7-5-6-22(2)18-23/h5-7,9-12,18-20,38-39H,4,8,13-17,21H2,1-3H3,(H,34,40)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265320
PNG
(US10413550, Example 75v | US9718793, 75v)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(-c2c(C)noc2C)c(O)cc1O
Show InChI InChI=1S/C29H32N4O5/c1-4-30-29(36)27-26(20-10-8-19(9-11-20)16-33-12-6-5-7-13-33)28(38-32-27)22-14-21(23(34)15-24(22)35)25-17(2)31-37-18(25)3/h8-11,14-15,34-35H,4-7,12-13,16H2,1-3H3,(H,30,36)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265404
PNG
(US10413550, Example 78w | US9718793, 78w)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C29H37N3O4/c1-17(2)22-14-23(25(34)15-24(22)33)28-26(27(32-36-28)29(35)31-18(3)4)20-12-10-19(11-13-20)16-30-21-8-6-5-7-9-21/h10-15,17-18,21,30,33-34H,5-9,16H2,1-4H3,(H,31,35)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265425
PNG
(US10413550, Example 78ae | US9718793, 78ae)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2(CCCCC2)C(N)=O)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C29H36N4O5/c1-4-31-27(36)25-24(26(38-33-25)21-14-20(17(2)3)22(34)15-23(21)35)19-10-8-18(9-11-19)16-32-29(28(30)37)12-6-5-7-13-29/h8-11,14-15,17,32,34-35H,4-7,12-13,16H2,1-3H3,(H2,30,37)(H,31,36)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265140
PNG
(US10413550, Example 50 | US9718793, 50)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CO)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H28ClN3O5/c1-2-27-25(33)23-22(24(34-28-23)18-11-19(26)21(32)12-20(18)31)17-5-3-15(4-6-17)13-29-9-7-16(14-30)8-10-29/h3-6,11-12,16,30-32H,2,7-10,13-14H2,1H3,(H,27,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265170
PNG
(US10413550, Example 60 | US9718793, 60)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(C)CCO)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H24ClN3O5/c1-3-24-22(30)20-19(14-6-4-13(5-7-14)12-26(2)8-9-27)21(31-25-20)15-10-16(23)18(29)11-17(15)28/h4-7,10-11,27-29H,3,8-9,12H2,1-2H3,(H,24,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265194
PNG
(US10413550, Example 41e | US9718793, 41e)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1F)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H13ClF2N2O4/c1-2-22-18(26)16-15(9-4-3-8(20)5-12(9)21)17(27-23-16)10-6-11(19)14(25)7-13(10)24/h3-7,24-25H,2H2,1H3,(H,22,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265254
PNG
(US10413550, Example 73 | US9718793, 73)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28FN3O5/c1-2-31-29(36)27-26(20-5-3-18(4-6-20)17-33-11-13-37-14-12-33)28(38-32-27)23-15-22(24(34)16-25(23)35)19-7-9-21(30)10-8-19/h3-10,15-16,34-35H,2,11-14,17H2,1H3,(H,31,36)/p+1
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265269
PNG
(US10413550, Example 75c | US9718793, 75c)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
Show InChI InChI=1S/C32H35N3O5/c1-3-33-32(38)30-29(24-10-8-23(9-11-24)20-35-13-15-39-16-14-35)31(40-34-30)26-18-25(27(36)19-28(26)37)12-7-22-6-4-5-21(2)17-22/h4-6,8-11,17-19,36-37H,3,7,12-16,20H2,1-2H3,(H,33,38)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265275
PNG
(US10413550, Example 75e | US9718793, 75e)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
Show InChI InChI=1S/C32H34FN3O4/c1-2-34-32(39)30-29(23-12-10-22(11-13-23)20-36-15-4-3-5-16-36)31(40-35-30)26-18-24(27(37)19-28(26)38)14-9-21-7-6-8-25(33)17-21/h6-8,10-13,17-19,37-38H,2-5,9,14-16,20H2,1H3,(H,34,39)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM413553
PNG
(US10413550, Example 75i)
Show SMILES CCNC(=O)C1=[O]OC(=C1c1ccc(CN2CCCCC2)cc1)c1cc(CCc2ccccc2)c(O)cc1O
Show InChI InChI=1S/C32H35N2O5/c1-2-33-32(37)31-29(24-14-12-23(13-15-24)21-34-17-7-4-8-18-34)30(38-39-31)26-19-25(27(35)20-28(26)36)16-11-22-9-5-3-6-10-22/h3,5-6,9-10,12-15,19-20,35-36H,2,4,7-8,11,16-18,21H2,1H3,(H,33,37)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20921
PNG
(5-[2,4-dihydroxy-5-(2-methylphenyl)phenyl]-N-ethyl...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
Show InChI InChI=1S/C31H33N3O4/c1-3-32-31(37)29-28(22-13-11-21(12-14-22)19-34-15-7-4-8-16-34)30(38-33-29)25-17-24(26(35)18-27(25)36)23-10-6-5-9-20(23)2/h5-6,9-14,17-18,35-36H,3-4,7-8,15-16,19H2,1-2H3,(H,32,37)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265376
PNG
(US10413550, Example 78k | US9718793, 78k)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N3O5/c1-4-28-27(33)25-24(18-7-5-17(6-8-18)15-29-19-9-11-34-12-10-19)26(35-30-25)21-13-20(16(2)3)22(31)14-23(21)32/h5-8,13-14,16,19,29,31-32H,4,9-12,15H2,1-3H3,(H,28,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265431
PNG
(US10413550, Example 78ag | US9718793, 78ag)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H32N4O5/c1-6-28-26(34)24-23(17-9-7-16(8-10-17)13-27-14-22(33)30(4)5)25(35-29-24)19-11-18(15(2)3)20(31)12-21(19)32/h7-12,15,27,31-32H,6,13-14H2,1-5H3,(H,28,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265032
PNG
(US10413550, Example 6 | US9718793, 6)
Show SMILES Oc1ccc(Cl)cc1-c1oncc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H12ClNO4/c18-11-2-3-14(20)12(8-11)17-13(9-19-23-17)10-1-4-15-16(7-10)22-6-5-21-15/h1-4,7-9,20H,5-6H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265044
PNG
(US10413550, Example 10 | US9718793, 10)
Show SMILES Cc1noc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C16H12ClNO3/c1-9-15(10-5-3-2-4-6-10)16(21-18-9)11-7-12(17)14(20)8-13(11)19/h2-8,19-20H,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265104
PNG
(US10413550, Example 66 | US9718793, 36 | US9718793...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCN(C)CC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H25ClN4O4/c1-3-25-23(31)21-20(22(32-26-21)16-12-17(24)19(30)13-18(16)29)14-4-6-15(7-5-14)28-10-8-27(2)9-11-28/h4-7,12-13,29-30H,3,8-11H2,1-2H3,(H,25,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20901
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-{[(2...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCS(C)(=O)=O)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H24ClN3O6S/c1-3-25-22(29)20-19(21(32-26-20)15-10-16(23)18(28)11-17(15)27)14-6-4-13(5-7-14)12-24-8-9-33(2,30)31/h4-7,10-11,24,27-28H,3,8-9,12H2,1-2H3,(H,25,29)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20902
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-15(5-7-16)14-29-10-8-28(2)9-11-29/h4-7,12-13,30-31H,3,8-11,14H2,1-2H3,(H,26,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265143
PNG
(US10413550, Example 51 | US9718793, 51)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CCO)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C26H30ClN3O5/c1-2-28-26(34)24-23(25(35-29-24)19-13-20(27)22(33)14-21(19)32)18-5-3-17(4-6-18)15-30-10-7-16(8-11-30)9-12-31/h3-6,13-14,16,31-33H,2,7-12,15H2,1H3,(H,28,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265158
PNG
(US10413550, Example 56 | US9718793, 56)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C26H31N3O4/c1-3-18-14-20(22(31)15-21(18)30)25-23(24(28-33-25)26(32)27-4-2)19-10-8-17(9-11-19)16-29-12-6-5-7-13-29/h8-11,14-15,30-31H,3-7,12-13,16H2,1-2H3,(H,27,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265173
PNG
(US10413550, Example 61 | US9718793, 61)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCNC(=O)C2)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H23ClN4O5/c1-2-25-23(32)21-20(22(33-27-21)15-9-16(24)18(30)10-17(15)29)14-5-3-4-13(8-14)11-28-7-6-26-19(31)12-28/h3-5,8-10,29-30H,2,6-7,11-12H2,1H3,(H,25,32)(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265179
PNG
(US10413550, Example 63 | US9718793, 63)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)c(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H26ClFN4O5/c1-3-28-25(35)23-22(24(36-29-23)17-11-18(26)21(34)12-20(17)33)15-4-5-19(27)16(10-15)13-30-6-8-31(9-7-30)14(2)32/h4-5,10-12,33-34H,3,6-9,13H2,1-2H3,(H,28,35)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265212
PNG
(US10413550, Example 41k | US9718793, 41k)
Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CNCCN1CCOCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H29ClN4O5/c1-2-28-25(33)23-22(24(35-29-23)18-13-19(26)21(32)14-20(18)31)17-6-4-3-5-16(17)15-27-7-8-30-9-11-34-12-10-30/h3-6,13-14,27,31-32H,2,7-12,15H2,1H3,(H,28,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265215
PNG
(US10413550, Example 41m | US9718793, 41m)
Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CN1CCOCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-6-4-3-5-14(15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265281
PNG
(US10413550, Example 75f | US9718793, 75f)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
Show InChI InChI=1S/C29H28FN3O5/c1-2-31-29(36)27-26(19-9-7-18(8-10-19)17-33-11-13-37-14-12-33)28(38-32-27)22-15-21(24(34)16-25(22)35)20-5-3-4-6-23(20)30/h3-10,15-16,34-35H,2,11-14,17H2,1H3,(H,31,36)/p+1
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UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20928
PNG
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N3O4/c1-4-28-27(33)25-24(19-10-8-18(9-11-19)16-30-12-6-5-7-13-30)26(34-29-25)21-14-20(17(2)3)22(31)15-23(21)32/h8-11,14-15,17,31-32H,4-7,12-13,16H2,1-3H3,(H,28,33)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM20927
PNG
(4-{4-[(diethylamino)methyl]phenyl}-5-[2,4-dihydrox...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H33N3O4/c1-6-27-26(32)24-23(18-11-9-17(10-12-18)15-29(7-2)8-3)25(33-28-24)20-13-19(16(4)5)21(30)14-22(20)31/h9-14,16,30-31H,6-8,15H2,1-5H3,(H,27,32)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265353
PNG
(US10413550, Example 78c | US9718793, 78c)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H34N4O4/c1-5-28-27(34)25-24(19-8-6-18(7-9-19)16-31-12-10-30(4)11-13-31)26(35-29-25)21-14-20(17(2)3)22(32)15-23(21)33/h6-9,14-15,17,32-33H,5,10-13,16H2,1-4H3,(H,28,34)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265359
PNG
(US10413550, Example 78e | US9718793, 78e)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H31N3O4/c1-6-26-25(31)23-22(17-9-7-16(8-10-17)13-27-15(4)5)24(32-28-23)19-11-18(14(2)3)20(29)12-21(19)30/h7-12,14-15,27,29-30H,6,13H2,1-5H3,(H,26,31)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265373
PNG
(US10413550, Example 78j | US9718793, 78j)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N3O4/c1-4-28-27(33)25-24(18-11-9-17(10-12-18)15-29-19-7-5-6-8-19)26(34-30-25)21-13-20(16(2)3)22(31)14-23(21)32/h9-14,16,19,29,31-32H,4-8,15H2,1-3H3,(H,28,33)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265395
PNG
(US10413550, Example 78s | US9718793, 78s)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N3O5/c1-16(2)20-13-21(23(32)14-22(20)31)26-24(25(29-35-26)27(33)28-17(3)4)19-7-5-18(6-8-19)15-30-9-11-34-12-10-30/h5-8,13-14,16-17,31-32H,9-12,15H2,1-4H3,(H,28,33)
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US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265317
PNG
(US10413550, Example 75u | US9718793, 75u)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccn1
Show InChI InChI=1S/C28H28N4O5/c1-2-29-28(35)26-25(19-8-6-18(7-9-19)17-32-11-13-36-14-12-32)27(37-31-26)21-15-20(23(33)16-24(21)34)22-5-3-4-10-30-22/h3-10,15-16,33-34H,2,11-14,17H2,1H3,(H,29,35)
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US Patent
n/an/a 1.30E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265367
PNG
(US10413550, Example 78h | US9718793, 78h)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(C)=O)cc1OC(C)=O
Show InChI InChI=1S/C30H35N3O7/c1-6-31-30(36)28-27(22-9-7-21(8-10-22)17-33-11-13-37-14-12-33)29(40-32-28)24-15-23(18(2)3)25(38-19(4)34)16-26(24)39-20(5)35/h7-10,15-16,18H,6,11-14,17H2,1-5H3,(H,31,36)
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US Patent
n/an/a 7.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM413578
PNG
(US10413550, Example 78g)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(CC(=O)NC(C)C)cc1OC(=O)NC(C)C
Show InChI InChI=1S/C35H47N5O6/c1-8-36-34(42)32-31(25-11-9-24(10-12-25)20-40-13-15-44-16-14-40)33(46-39-32)28-19-27(21(2)3)26(18-30(41)37-22(4)5)17-29(28)45-35(43)38-23(6)7/h9-12,17,19,21-23H,8,13-16,18,20H2,1-7H3,(H,36,42)(H,37,41)(H,38,43)
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US Patent
n/an/a 7.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265437
PNG
(US10413550, Example 78ai | US9718793, 78ai)
Show SMILES CCNC(=O)Oc1cc(OC(=O)NCC)c(cc1C(C)C)-c1onc(C(=O)NCC)c1-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C32H41N5O7/c1-6-33-30(38)28-27(22-11-9-21(10-12-22)19-37-13-15-41-16-14-37)29(44-36-28)24-17-23(20(4)5)25(42-31(39)34-7-2)18-26(24)43-32(40)35-8-3/h9-12,17-18,20H,6-8,13-16,19H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)
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US Patent
n/an/a 7.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
HSP90


(Homo sapiens (Human)-Alligator mississippiensis (A...)
BDBM265392
PNG
(US10413550, Example 78r | US9718793, 78r)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(=O)N(C)C)cc1OC(=O)N(C)C
Show InChI InChI=1S/C32H41N5O7/c1-8-33-30(38)28-27(22-11-9-21(10-12-22)19-37-13-15-41-16-14-37)29(44-34-28)24-17-23(20(2)3)25(42-31(39)35(4)5)18-26(24)43-32(40)36(6)7/h9-12,17-18,20H,8,13-16,19H2,1-7H3,(H,33,38)
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US Patent
n/an/a 7.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
(1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...


US Patent US10413550 (2019)


BindingDB Entry DOI: 10.7270/Q2C82CP2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%